Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.65 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | DRD2 | P14416 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.54 |
| ▸ | HRH1 | P35367 | 3/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.49 |
| ▸ | TERT | O14746 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7987453 | 0.98 | ALDH1A1 (0.63) | ALDH1A1HTTSLC6A3SLC6A4DRD2 | |
| SCHEMBL13493043 | 0.84 | SLC6A3 (0.59) | ALDH1A1HTTSLC6A3SLC6A4DRD2 | |
| SCHEMBL7995711 | 0.84 | SLC6A3 (0.59) | ALDH1A1HTTSLC6A3SLC6A4DRD2 | |
| SCHEMBL8240690 | 0.81 | SIGMAR1 (0.66) | SIGMAR1TMEM97 | |
| SCHEMBL6984190 | 0.81 | SCN5A (0.74) | SLC6A3SLC6A4DRD2SIGMAR1HRH1 | |
| Hydrochloric Acid SCHEMBL1299239 | 0.80 | SIGMAR1 (0.64) | SIGMAR1TMEM97 | |
| SCHEMBL22813564 | 0.80 | SIGMAR1 (0.56) | SLC6A3SLC6A4DRD2SIGMAR1TMEM97 | |
| SCHEMBL22813632 | 0.80 | SLC6A3 (0.55) | ALDH1A1HTTSLC6A3SLC6A4DRD2 | |
| Hydrochloric Acid SCHEMBL7987201 | 0.80 | SPHK1 (0.51) | ALDH1A1HTTSLC6A3SLC6A4DRD2 | |
| SCHEMBL7922224 | 0.80 | SIGMAR1 (0.56) | SLC6A3SLC6A4DRD2SIGMAR1LTA4H |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |